3-amino-2-(4-hydroxybutylamino)-quinazolin-4(3H)-one

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Basic information

CAS: 80195-25-1
Standard SMILES: Nn1c(NCCCCO)nc2ccccc2c1=O
InChIKey: GAXNFYCPYOZRJV-UHFFFAOYSA-N
Molecular formula: C12H16N4O2
Average molar mass: 248.28 g/mol
Monoisotopic mass: 248.12732577

Names & identifiers

Preferred name: 3-amino-2-(4-hydroxybutylamino)-quinazolin-4(3H)-one
IUPAC: 3-amino-2-(4-hydroxybutylamino)quinazolin-4-one

Names & synonyms

3-amino-2-(4-hydroxybutylamino)-quinazolin-4(3H)-oneSCHEMBL11160187GAXNFYCPYOZRJV-UHFFFAOYSA-NDTXSID90121246180195-25-13-Amino-2-[(4-hydroxybutyl)amino]-4(3H)-quinazolinone3-Amino-2-[(4-hydroxybutyl)amino]quinazolin-4(3H)-one

Database identifiers

CAS: 80195-25-1
PubChem CID: 12944129
DTXSID: DTXSID901212461

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 91 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 332

Related reactions

1 records

New reaction record

HRID 1702976As productuspto-grants-1982_09

Compound notes

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